SCHEMBL29620764

SCHEMBL29620764

COc1ccc(-c2nc3ncccn3c2-c2ccnc(C)c2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 6/20 0.46
MAPT P10636 5/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBA3C P0DPH7 1/20 0.46
TUBA1B P68363 1/20 0.46
TUBA4A P68366 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBA3E Q6PEY2 1/20 0.46
TUBA1A Q71U36 1/20 0.46
TUBA1C Q9BQE3 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
ROCK2 O75116 1/20 0.45
PIM1 P11309 1/20 0.45
GSK3B P49841 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22394740 1.00 GAA (0.46) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL29620837 0.90 ALDH1A1 (0.52) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL23407614 0.90 ALDH1A1 (0.52) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL23407651 0.90 TUBB4A (0.44) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL29620843 0.90 TUBB4A (0.44) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL23407653 0.90 KLK7 (0.47) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL29620817 0.90 KLK7 (0.47) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL23407552 0.86 ALDH1A1 (0.61) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL29620778 0.86 ALDH1A1 (0.61) GAAMAPTTUBB4ATUBBTUBA3C
SCHEMBL23407707 0.84 ALDH1A1 (0.47) GAAMAPTTUBB4ATUBBTUBA3C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3704105-B9 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2025-03-05 EP disclosed
EP-3704105-B1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD (GB) 2024-10-16 EP disclosed
CN-111566099-B Antibacterial compounds 迪斯库瓦有限公司 2023-06-02 CN disclosed
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS DISCUVA LTD. (GB) 2022-11-24 US disclosed
US-11345694-B2 Antibacterial compounds DISCUVA LTD. (GB) 2022-05-31 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11345694-B2 Antibacterial compounds CFTR, MRPL21, NQO1 GAA 60/4885MAPT 2697/4885TUBB4A 797/4885
US-20220372027-A1 ANTIBACTERIAL COMPOUNDS MRPL21, NRDC, PGLS GAA 160/4885MAPT 3111/4885TUBB4A 519/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.